methyl 2-(1,3-benzothiazol-2-ylcarbamothioylamino)-3-phenyl-propanoate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbamothioylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylcarbamothioylamino)-3-phenyl-propanoate CAS Name: 2-[[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylcarbamothioylamino)-3-phenylpropanoate Traditional Name: 2-(1,3-benzothiazol-2-ylthiocarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O2S2/c1-23-16(22)14(11-12-7-3-2-4-8-12)19-17(24)21-18-20-13-9-5-6-10-15(13)25-18/h2-10,14H,11H2,1H3,(H2,19,20,21,24)